CID 12431621

Cyclobutanecarboxaldehyde

Structural Information

Molecular Formula

SMILES

C1CC(C1)C=O

InChI

InChI=1S/C5H8O/c6-4-5-2-1-3-5/h4-5H,1-3H2

InChIKey

INVYSLWXPIEDIQ-UHFFFAOYSA-N

Compound name

cyclobutanecarbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 10049
Patents: 84.05752 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	85.064796	109.9
[M+Na]+	107.04674	116.4
[M-H]-	83.050244	113.7
[M+NH4]+	102.09134	127.3
[M+K]+	123.02068	119.3
[M+H-H2O]+	67.054780	100.9
[M+HCOO]-	129.05572	132.9
[M+CH3COO]-	143.07137	167.2
[M+Na-2H]-	105.03219	117.8
[M]+	84.056971	117.4
[M]-	84.058069	117.4

Literature stripe

literature stripe

Patent stripe

patents stripe